4-[6-oxidanylidene-5-(phenylmethyl)-11H-benzo[b][1,4]benzodiazepin-10-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[6-oxidanylidene-5-(phenylmethyl)-11H-benzo[b][1,4]benzodiazepin-10-yl]piperazine-1-carboxylic acid Openeye Name: 4-(5-benzyl-6-oxo-11H-benzo[b][1,4]benzodiazepin-10-yl)piperazine-1-carboxylic acid CAS Name: 4-[6-oxo-5-(phenylmethyl)-11H-benzo[b][1,4]benzodiazepin-10-yl]-1-piperazinecarboxylic acid IUPAC Name: 4-(5-benzyl-6-oxo-11H-benzo[b][1,4]benzodiazepin-10-yl)piperazine-1-carboxylic acid Traditional Name: 4-(5-benzyl-6-keto-11H-benzo[b][1,4]benzodiazepin-10-yl)piperazine-1-carboxylic acid Formula: C25H24N4O3 MolecularWeight: 428.48306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC3=C2NC4=CC=CC=C4N(C3=O)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC3=C2NC4=CC=CC=C4N(C3=O)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C25H24N4O3/c30-24-19-9-6-12-22(27-13-15-28(16-14-27)25(31)32)23(19)26-20-10-4-5-11-21(20)29(24)17-18-7-2-1-3-8-18/h1-12,26H,13-17H2,(H,31,32)